(3S)-3-methylsulfanylbutan-1-amine

C5H13NS — CID 51892089

IUPAC(3S)-3-methylsulfanylbutan-1-amine
SMILESCS[C@@H](C)CCN
InChIInChI=1S/C5H13NS/c1-5(7-2)3-4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyRWDNYBMVODCOAU-YFKPBYRVSA-N
MW119.23 g/mol
LogP1.09
Rot. Bonds3

About (3S)-3-methylsulfanylbutan-1-amine

(3S)-3-methylsulfanylbutan-1-amine (PubChem CID 51892089) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is (3S)-3-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name(3S)-3-methylsulfanylbutan-1-amine
PubChem CID51892089
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Name(3S)-3-methylsulfanylbutan-1-amine
SMILESCS[C@@H](C)CCN
InChIInChI=1S/C5H13NS/c1-5(7-2)3-4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyRWDNYBMVODCOAU-YFKPBYRVSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylsulfanylbutan-1-amine?
The IUPAC name of (3S)-3-methylsulfanylbutan-1-amine (CID 51892089) is (3S)-3-methylsulfanylbutan-1-amine.
What is the SMILES notation for (3S)-3-methylsulfanylbutan-1-amine?
The canonical SMILES for (3S)-3-methylsulfanylbutan-1-amine is CS[C@@H](C)CCN.
What is the InChIKey of (3S)-3-methylsulfanylbutan-1-amine?
The InChIKey is RWDNYBMVODCOAU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NS/c1-5(7-2)3-4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-3-methylsulfanylbutan-1-amine?
(3S)-3-methylsulfanylbutan-1-amine has a molecular weight of 119.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylsulfanylbutan-1-amine is sourced from PubChem (CID 51892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).